1,2-Dibromobutane
TL;DR: 1,2-Dibromobutane (CAS 533-98-2) is a chemical compound with molecular formula C4H8Br2 and molecular weight 213.89928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dibromobutane
Also Known As: 1,2-DIBROMOBUTANE, Butane, 1,2-dibromo-, alpha-Butylene dibromide, 1,2-dibromo-butane, .alpha.-Butylene dibromide
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8Br2 |
| Molecular Weight | 213.89928 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.89723 Da |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| Vapor Pressure | 3.1 [mmHg] |
| SMILES | CCC(CBr)Br |
| InChIKey | CZWSZZHGSNZRMW-UHFFFAOYSA-N |
Product Description
Applications: 1,2-Dibromobutane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,2-Dibromobutane is a heterocyclic building block identified by CAS number 533-98-2 and the molecular formula C4H8Br2 and a molecular weight of 213.9 g/mol. Synonyms include 1,2-DIBROMOBUTANE and Butane, 1,2-dibromo-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,2-Dibromobutane
Property Insights of 1,2-Dibromobutane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dibromobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-Dibromobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dibromobutane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Dibromobutane?
The CAS number of 1,2-Dibromobutane is 533-98-2.
What is the molecular formula of 1,2-Dibromobutane?
The molecular formula of 1,2-Dibromobutane is C4H8Br2.
What is the molecular weight of 1,2-Dibromobutane?
The molecular weight of 1,2-Dibromobutane is 213.89928 g/mol.
What are the applications of 1,2-Dibromobutane?
1,2-Dibromobutane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,2-Dibromobutane?
You can request a quote for 1,2-Dibromobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dibromobutane?
Yes, CoreyChem provides custom synthesis services for 1,2-Dibromobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.